(E)-7-[1-(4-tert-butylphenyl)-6-oxidanylidene-piperidin-2-yl]hept-5-enoic acid

Systemtic Name: (E)-7-[1-(4-tert-butylphenyl)-6-oxidanylidene-piperidin-2-yl]hept-5-enoic acid Openeye Name: (E)-7-[1-(4-tert-butylphenyl)-6-oxo-2-piperidyl]hept-5-enoic acid CAS Name: (E)-7-[1-(4-tert-butylphenyl)-6-oxo-2-piperidinyl]-5-heptenoic acid IUPAC Name: (E)-7-[1-(4-tert-butylphenyl)-6-oxopiperidin-2-yl]hept-5-enoic acid Traditional Name: (E)-7-[1-(4-tert-butylphenyl)-6-keto-2-piperidyl]hept-5-enoic acid Formula: C22H31NO3 MolecularWeight: 357.48644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N2C(CCCC2=O)CC=CCCCC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N2C(CCCC2=O)C/C=C/CCCC(=O)O

InChI

InChI=1S/C22H31NO3/c1-22(2,3)17-13-15-19(16-14-17)23-18(10-8-11-20(23)24)9-6-4-5-7-12-21(25)26/h4,6,13-16,18H,5,7-12H2,1-3H3,(H,25,26)/b6-4+